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7-Mercaptoheptanoylthreonine

PropertiesImage
MNX_IDMNXM3883 Image of MNXM3883
referencechebi:80592
formulaC11H21NO4S
global charge0
mol weight263.359
InChIKeyMZUIODFZFFPDDR-SCZZXKLOSA-N
InChIInChI=1S/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)/t8-,10+/m1/s1
SMILESC[C@@H](O)[C@H](NC(=O)CCCCCCS)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)/t8-,10+/m1/s1 Image of MNXM3883
SMILES (mnx)[CH3:1][C@H:8]([C@@H:10]([C:11](=[O:15])[OH:16])[N:12]=[C:9]([CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][SH:17])[OH:14])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80592
chebi:80592
kegg.compound:C16594
keggC:C16594
MZUIODFZFFPDDR-SCZZXKLOSA-N
7-Mercaptoheptanoylthreonine

bigg.metabolite:7mht
biggM:7mht
metacyc.compound:CPD-359
metacycM:CPD-359
MZUIODFZFFPDDR-SCZZXKLOSA-M
7-mercaptoheptanoylthreonine

seed.compound:cpd15828
seedM:cpd15828
MZUIODFZFFPDDR-SCZZXKLOSA-M
7-mercaptoheptanoylthreonine
7-Mercaptoheptanoylthreonine
7mht

biggM:M_7mht
keggC:M_C16594
seedM:M_cpd15828
secondary/obsolete/fantasy identifier